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Zastosowanie symulacji molekularnych adsorpcji do modelowania przebiegu quasi-równowagowej termodesorpcji węglowodorów z materiałów mikroporowatych.

2018/28/T/ST5/00274

Keywords:

Descriptors:

  • ST5_6: Porous materials, ceramics, glasses
  • ST5_19:
  • ST6_12: Scientific computing, simulation and modelling tools

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Uniwersytet Jagielloński, Wydział Chemii

woj. małopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

Andrzej Sławek 

Number of co-investigators in the project: 2

Call: ETIUDA 6 - announced on 2017-12-15

Amount awarded: 94 548 PLN

Project start date (Y-m-d): 2018-10-01

Project end date (Y-m-d): 2019-09-30

Project duration:: 12 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Information in the final report

  • Publication in academic press/journals (6)
  1. The Influence of UiO-66 Metal-Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers
    Authors:
    Sławek, A.; Jajko, G.; Ogorzały, K.; Dubbeldam, D.; Vlugt, T.J.H.; Makowski, W.
    Academic press:
    Chemistry - A European Journal (rok: 2022, ), Wydawca: Wiley
    Status:
    Submitted
    DOI:
    brak - link to the publication
  2. Enhancing the Water Capacity in Zr-Based Metal–Organic Framework for Heat Pump and Atmospheric Water Generator Applications
    Authors:
    Luna-Triguero, A.; Sławek, A.; Huinink, H.P.; Vlugt, T.J.H.; Poursaeidesfahani, A.; Vicent-Luna, J.M.; Calero, S.
    Academic press:
    ACS Appied Nano Materials (rok: 2019, tom: 2, strony: 3050-3059), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acsanm.9b00416 - link to the publication
  3. π-Complexation for olefin/paraffin separation using aluminosilicates
    Authors:
    Luna-Triguero, A.; Sławek, A.; Sánchez-de-Armas. R.; Gutiérrez-Sevillano, J.J; Ania, C.O.; Parra, J.B.; Vicent-Luna, J.M.; Calero, S.
    Academic press:
    Chemical Engineering Journal (rok: 2020, tom: 380, strony: 122482), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cej.2019.122482 - link to the publication
  4. Adsorption of Alkanes in Zeolites LTA and FAU: Quasi-Equilibrated Thermodesorption Supported by Molecular Simulations
    Authors:
    Sławek, A.; Vicent-Luna, J.M.; Ogorzały, K.; Valencia, S.; Rey, F.; Makowski, W.; Calero, S.
    Academic press:
    Journal of Physical Chemistry C (rok: 2019, tom: 123, strony: 29665-29678), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.9b07907 - link to the publication
  5. Adsorption of n-alkanes in ZIF-8: Influence of crystal size and framework dynamics
    Authors:
    Sławek, A.; Roztocki, K.; Majda, D.; Jaskaniec, S.; Vlugt, T.J.H.; Makowski, W.
    Academic press:
    Microporous and Mesoporous Materials (rok: 2021, tom: 312, strony: 110730-), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2020.110730 - link to the publication
  6. Exploiting the π-bonding for the separation of benzene and cyclohexane in zeolites
    Authors:
    González-Galán, C.; Luna-Triguero, A.; Vicent-Luna, J.M.; Zaderenko, A.P.; Sławek, A.; Sánchez-de-Armas, R.; Calero, S.
    Academic press:
    Chemical Engineering Journal (rok: 2020, tom: 398, strony: 125678), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cej.2020.125678 - link to the publication

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